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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 70489   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM70489
PNG
(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00921
BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM70489
PNG
(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.61E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00921
BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70489
PNG
(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.37E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26H4FW6
More data for this
Ligand-Target Pair